copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline

C114H114Cu2N8O14 — CID 58954211

IUPACcopper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline
SMILESCc1ccc(OCCOCCOCCOCCOCCOCCOc2ccc(-c3ccc4ccc5cc(-c6cccc(C)c6)cnc5c4n3)cc2)cc1.Cc1ccc(OCCOCCOCCOCCOCCOCCOc2ccc(-c3ccc4ccc5ccc(C)nc5c4n3)cc2)cc1.Cc1ccc2ccc3ccc(-c4cccc(-c5ccc6ccc7ccc(C)nc7c6n5)c4)nc3c2n1.[Cu].[Cu]
InChIInChI=1S/C44H48N2O7.C38H44N2O7.C32H22N4.2Cu/c1-33-6-13-40(14-7-33)52-28-26-50-24-22-48-20-18-47-19-21-49-23-25-51-27-29-53-41-15-10-35(11-16-41)42-17-12-36-8-9-38-31-39(32-45-43(38)44(36)46-42)37-5-3-4-34(2)30-37;1-29-3-12-34(13-4-29)46-27-25-44-23-21-42-19-17-41-18-20-43-22-24-45-26-28-47-35-14-9-31(10-15-35)36-16-11-33-8-7-32-6-5-30(2)39-37(32)38(33)40-36;1-19-6-8-21-10-12-23-14-16-27(35-31(23)29(21)33-19)25-4-3-5-26(18-25)28-17-15-24-13-11-22-9-7-20(2)34-30(22)32(24)36-28;;/h3-17,30-32H,18-29H2,1-2H3;3-16H,17-28H2,1-2H3;3-18H,1-2H3;;
InChIKeyCDKZPPSRRLHKEY-UHFFFAOYSA-N
MW1947.30 g/mol
LogP22.71
Rot. Bonds45

About copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline

copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline (PubChem CID 58954211) has the molecular formula C114H114Cu2N8O14 and a molecular weight of 1947.30 g/mol. Its IUPAC name is copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Namecopper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline
PubChem CID58954211
Molecular FormulaC114H114Cu2N8O14
Molecular Weight1947.30 g/mol
Exact Mass1944.70
IUPAC Namecopper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline
SMILESCc1ccc(OCCOCCOCCOCCOCCOCCOc2ccc(-c3ccc4ccc5cc(-c6cccc(C)c6)cnc5c4n3)cc2)cc1.Cc1ccc(OCCOCCOCCOCCOCCOCCOc2ccc(-c3ccc4ccc5ccc(C)nc5c4n3)cc2)cc1.Cc1ccc2ccc3ccc(-c4cccc(-c5ccc6ccc7ccc(C)nc7c6n5)c4)nc3c2n1.[Cu].[Cu]
InChIInChI=1S/C44H48N2O7.C38H44N2O7.C32H22N4.2Cu/c1-33-6-13-40(14-7-33)52-28-26-50-24-22-48-20-18-47-19-21-49-23-25-51-27-29-53-41-15-10-35(11-16-41)42-17-12-36-8-9-38-31-39(32-45-43(38)44(36)46-42)37-5-3-4-34(2)30-37;1-29-3-12-34(13-4-29)46-27-25-44-23-21-42-19-17-41-18-20-43-22-24-45-26-28-47-35-14-9-31(10-15-35)36-16-11-33-8-7-32-6-5-30(2)39-37(32)38(33)40-36;1-19-6-8-21-10-12-23-14-16-27(35-31(23)29(21)33-19)25-4-3-5-26(18-25)28-17-15-24-13-11-22-9-7-20(2)34-30(22)32(24)36-28;;/h3-17,30-32H,18-29H2,1-2H3;3-16H,17-28H2,1-2H3;3-18H,1-2H3;;
InChIKeyCDKZPPSRRLHKEY-UHFFFAOYSA-N
XLogP22.71
TPSA232.34 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds45
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001947.30
LogP ≤ 522.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline with MolForge

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Related Compounds

N,N-dimethyl-3-[4-(1,10-phenanthrolin-4-yl)butoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5289251
Bis(2,9-bis(p-methoxyphenyl)-1,10-phenanthroline)copper(1+) chloride
CID 117065415
(T-4)-Copper(1+), bis[2,9-bis(4-methoxyphenyl)-1,10-phenanthroline-kappaN1,kappaN10]-, chloride
CID 138108253
9-benzyl-1-methyl-2-(2-phenylethyl)-7-phenylmethoxypyrido[3,4-b]indol-2-ium;7-(2-methoxyethoxy)-1-methyl-9H-pyrido[3,4-b]indole;1-methyl-7-phenylmethoxy-9H-pyrido[3,4-b]indole;1-methyl-7-(pyridin-3-ylmethoxy)-9H-pyrido[3,4-b]indole;1-methyl-7-(pyridin-4-ylmethoxy)-9H-pyrido[3,4-b]indole;1-methyl-7-(4,4,4-trifluorobutoxy)-9H-pyrido[3,4-b]indole;bromide
CID 159492571
bis(4,7-diphenyl-1,10-phenanthroline);(2E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-ylidene]acetonitrile;ruthenium
CID 172280611
N,N-dimethyl-3-[5-(1,10-phenanthrolin-4-yl)pentoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058672
N,N-dimethyl-3-[6-(1,10-phenanthrolin-4-yl)hexoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058674
N,N-dimethyl-3-[7-(1,10-phenanthrolin-4-yl)heptoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058676
N,N-dimethyl-3-[9-(1,10-phenanthrolin-4-yl)nonoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058678
N,N-dimethyl-3-[11-(1,10-phenanthrolin-4-yl)undecoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058680
CID 139038314
CID 139038314
4-(3-Pyridinyl)-7-(4-methoxy)-2,1,3-benzothiazole
CID 139043299

Frequently Asked Questions

What is the IUPAC name of copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline?
The IUPAC name of copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline (CID 58954211) is copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline.
What is the SMILES notation for copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline?
The canonical SMILES for copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline is Cc1ccc(OCCOCCOCCOCCOCCOCCOc2ccc(-c3ccc4ccc5cc(-c6cccc(C)c6)cnc5c4n3)cc2)cc1.Cc1ccc(OCCOCCOCCOCCOCCOCCOc2ccc(-c3ccc4ccc5ccc(C)nc5c4n3)cc2)cc1.Cc1ccc2ccc3ccc(-c4cccc(-c5ccc6ccc7ccc(C)nc7c6n5)c4)nc3c2n1.[Cu].[Cu].
What is the InChIKey of copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline?
The InChIKey is CDKZPPSRRLHKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48N2O7.C38H44N2O7.C32H22N4.2Cu/c1-33-6-13-40(14-7-33)52-28-26-50-24-22-48-20-18-47-19-21-49-23-25-51-27-29-53-41-15-10-35(11-16-41)42-17-12-36-8-9-38-31-39(32-45-43(38)44(36)46-42)37-5-3-4-34(2)30-37;1-29-3-12-34(13-4-29)46-27-25-44-23-21-42-19-17-41-18-20-43-22-24-45-26-28-47-35-14-9-31(10-15-35)36-16-11-33-8-7-32-6-5-30(2)39-37(32)38(33)40-36;1-19-6-8-21-10-12-23-14-16-27(35-31(23)29(21)33-19)25-4-3-5-26(18-25)28-17-15-24-13-11-22-9-7-20(2)34-30(22)32(24)36-28;;/h3-17,30-32H,18-29H2,1-2H3;3-16H,17-28H2,1-2H3;3-18H,1-2H3;;.
What are the key properties of copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline?
copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline has a molecular weight of 1947.30 g/mol, XLogP of 22.71, 45 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 58954211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).